N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine

C9H12N6O — CID 47184942

IUPACN-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NCC1CCOC1
InChIInChI=1S/C9H12N6O/c1-2-9-11-13-14-15(9)12-8(1)10-5-7-3-4-16-6-7/h1-2,7H,3-6H2,(H,10,12)
InChIKeyMAVDYZPKTXFPNA-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.03
Rot. Bonds3

About N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine

N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47184942) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47184942
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC NameN-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NCC1CCOC1
InChIInChI=1S/C9H12N6O/c1-2-9-11-13-14-15(9)12-8(1)10-5-7-3-4-16-6-7/h1-2,7H,3-6H2,(H,10,12)
InChIKeyMAVDYZPKTXFPNA-UHFFFAOYSA-N
XLogP-0.03
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 47184942) is N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is c1cc2nnnn2nc1NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is MAVDYZPKTXFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-9-11-13-14-15(9)12-8(1)10-5-7-3-4-16-6-7/h1-2,7H,3-6H2,(H,10,12).
What are the key properties of N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 220.24 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47184942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).